tert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate

C11H15N3O3 — CID 175571728

IUPACtert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1coc(N)c1C#N
InChIInChI=1S/C11H15N3O3/c1-11(2,3)17-10(15)14(4)8-6-16-9(13)7(8)5-12/h6H,13H2,1-4H3
InChIKeyXWDUAVWCLUEYQE-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.10
Rot. Bonds1

About tert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate

tert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate (PubChem CID 175571728) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is tert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate
PubChem CID175571728
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nametert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1coc(N)c1C#N
InChIInChI=1S/C11H15N3O3/c1-11(2,3)17-10(15)14(4)8-6-16-9(13)7(8)5-12/h6H,13H2,1-4H3
InChIKeyXWDUAVWCLUEYQE-UHFFFAOYSA-N
XLogP2.10
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(4-cyano-5-methoxy-3-pyridinyl)-N-methylcarbamate
CID 53410931
tert-butyl N-(5-bromo-4-cyano-1H-pyrazol-3-yl)-N-methylcarbamate
CID 168927877
tert-butyl N-(N-amino-4-cyanoanilino)-N-methylcarbamate
CID 131970520
tert-butyl N-(2-amino-4-bromophenyl)-N-methylcarbamate
CID 103694246
5-amino-4-cyanofuran-3-carboxylic acid
CID 156757322
tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate
CID 23625857
tert-butyl N-(2-bromo-4-iodophenyl)-N-methylcarbamate
CID 155462077
methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylate
CID 141364554
2-amino-4-ethylfuran-3-carbonitrile
CID 3536585
tert-butyl N-[4-(2-cyanophenyl)phenyl]-N-methylcarbamate
CID 67667245
tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate
CID 150785471
tert-butyl N-(6-amino-1,2-benzoxazol-3-yl)-N-methylcarbamate
CID 155113166

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate (CID 175571728) is tert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1coc(N)c1C#N.
What is the InChIKey of tert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate?
The InChIKey is XWDUAVWCLUEYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(2,3)17-10(15)14(4)8-6-16-9(13)7(8)5-12/h6H,13H2,1-4H3.
What are the key properties of tert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate?
tert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate has a molecular weight of 237.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-4-cyanofuran-3-yl)-N-methylcarbamate is sourced from PubChem (CID 175571728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).